ChemSpider 2D Image | N-Ethyladenosine | C12H17N5O4

N-Ethyladenosine

  • Molecular FormulaC12H17N5O4
  • Average mass295.294 Da
  • Monoisotopic mass295.128052 Da
  • ChemSpider ID58807314

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

14357-08-5 [RN]
Adenosine, N-ethyl- [ACD/Index Name]
N6-Ethyladenosine
N-Ethyladenosin [German] [ACD/IUPAC Name]
N-ethyl-adenosine
N-Ethyladenosine [ACD/IUPAC Name]
N-Éthyladénosine [French] [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(6-(Ethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 642.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.6±34.3 °C
Index of Refraction: 1.778
Molar Refractivity: 70.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.66
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.81
Polar Surface Area: 126 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 76.5±7.0 dyne/cm
Molar Volume: 167.4±7.0 cm3

Click to predict properties on the Chemicalize site


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